6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine

C22H21N3S — CID 7338104

IUPAC6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1
InChIInChI=1S/C22H21N3S/c1-15-8-13-20-24-21(17-9-11-18(26-3)12-10-17)22(25(20)14-15)23-19-7-5-4-6-16(19)2/h4-14,23H,1-3H3
InChIKeyLJZLKRZRJGQVPQ-UHFFFAOYSA-N
MW359.50 g/mol
LogP6.08
Rot. Bonds4

About 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine

6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 7338104) has the molecular formula C22H21N3S and a molecular weight of 359.50 g/mol. Its IUPAC name is 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID7338104
Molecular FormulaC22H21N3S
Molecular Weight359.50 g/mol
Exact Mass359.15
IUPAC Name6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1
InChIInChI=1S/C22H21N3S/c1-15-8-13-20-24-21(17-9-11-18(26-3)12-10-17)22(25(20)14-15)23-19-7-5-4-6-16(19)2/h4-14,23H,1-3H3
InChIKeyLJZLKRZRJGQVPQ-UHFFFAOYSA-N
XLogP6.08
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.50
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 7338104) is 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine is CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccccc2C)cc1.
What is the InChIKey of 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is LJZLKRZRJGQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3S/c1-15-8-13-20-24-21(17-9-11-18(26-3)12-10-17)22(25(20)14-15)23-19-7-5-4-6-16(19)2/h4-14,23H,1-3H3.
What are the key properties of 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine?
6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 359.50 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2-methylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 7338104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).